cobalt(II)(4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-phenylpyrimidine)dichloride | 1219817-93-2

• 英文名称: cobalt(II)(4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-phenylpyrimidine)dichloride
• CAS: 1219817-93-2
• 化学式: C₁₆H₁₆Cl₂CoN₄
• 分子量: 394.229
• InChiKey: QZYPAPPHCNEFJV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  4-(3',5'-dimethyl-1H-pyrazol-1'-yl)-6-methyl-2-phenylpyrimidine 、 cobalt(II) chloride 以 异丙醇 为溶剂， 以79%的产率得到cobalt(II)(4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-phenylpyrimidine)dichloride
  参考文献：
  名称：

  Complexes of copper(II) and cobalt(II) halides with 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-phenylpyrimidine: Synthesis, structures, and properties

  摘要：

  Copper(II) and cobalt(II) complexes with 4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-phenylpyrimidine (L) of the general formula MLX2 (M = Cu(II), X = Cl and Br; M = Co(II), X = Cl, Br, and I) were obtained. According to X-ray diffraction data, CuLBr2 and CoLX2 (X = Cl, Br, and I) are mononuclear molecular complexes. The ligand L is coordinated to the metal atom in a chelating bidentate fashion through the N atoms of the pyrimidine and pyrazole rings. The coordination polyhedron of the metal atom is extended to a distorted tetrahedron by two halide ions. In solution, CuLBr2 undergoes slow transformation into CuL(1-x)L' (x) Br-2 and the binuclear (X-ray diffraction data) Cu(I) complex [CuL(1-x)L' (x) Br](2) (L' is 4-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-2-phenylpyrimidine). The complexes MLX2 show weak antiferromagnetic interactions between the M2+ ions.

  DOI：

  10.1134/s1070328409080077